PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

ga(iii)2n2br4 (bawvea)   4421 Ga(III)2N2Br4 (BAWVEA)

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    #  Species Formula
  4411 Cu(I)2Br4(2-) (CEYWAE) (Geo)Cu2Br4
  4412 Cu(I)2Br4(2-) (CEYWAE)Cu2Br4
  4413 Cu(II)2N2Br4 (BPYRCU) (Geo)C10H10N2Cu2Br4
  4414 Cu(II)2N2Br4 (BPYRCU)C10H10N2Cu2Br4
  4415 Cu(II)2N4Br4 (BGLXCU) (Geo)C8H16N4O4Cu2Br4
  4416 Zn(II)Br4(2-) (BEYNUO) (Geo)ZnBr4
  4417 Zn(II)Br4(2-) (BEYNUO)ZnBr4
  4418 Ga(III)Br4(-) (AGOGAE) (Geo)GaBr4
  4419 Ga(III)Br4(-) (AGOGAE)GaBr4
  4420 Ga(III)2N2Br4 (BAWVEA) (Geo)C10H10N2Ga2Br4
  4421 Ga(III)2N2Br4 (BAWVEA) C10H10N2Ga2Br4
  4422 Germanium tetrabromide (Geo)GeBr4
  4423 Germanium tetrabromideGeBr4
  4424 GeN2Br4 (BOMQOJ) (Geo)C14H18N2GeBr4
  4425 GeN2Br4 (BOMQOJ)C14H18N2GeBr4
  4426 HexabromoethaneC2Br6
  4427 Al2Br6 (Geo)Al2Br6
  4428 Aluminum tribromide dimerAl2Br6
  4429 Sulfur hexabromide (Geo)SBr6
  4430 Titanium(IV) hexabromide (Geo)TiBr6
  4431 Vanadium(V) hexabromide (Geo)VBr6


ΔHf: -93.2 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Ga(III)2N2Br4 (BAWVEA)
 H=-93.2 HR=PW91D
 Ga     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.30294390 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.28304327 +1  109.4348694 +1    0.0000000 +0     1     2     0
  N     2.04783499 +1   95.9744896 +1  -98.9633564 +1     1     2     3
 Ga     2.42523376 +1  115.4140846 +1 -121.4280408 +1     1     2     4
  C     2.99363296 +1   92.8068991 +1  -35.2669915 +1     5     1     2
 Br     2.28432008 +1  119.9486446 +1 -114.1688878 +1     5     1     6
 Br     2.30220868 +1  115.7085469 +1 -134.5053314 +1     5     1     7
  C     1.35898745 +1  119.8407040 +1   53.7954209 +1     4     1     2
  C     1.35759634 +1  121.7257669 +1 -179.4714532 +1     4     1     9
  C     1.39611605 +1  122.0675728 +1 -179.1342440 +1     9     4     1
  C     1.39650477 +1  122.1074521 +1  179.0512629 +1    10     4     1
  C     1.39290728 +1  119.3179799 +1   -0.0258924 +1    11     9     4
  H     2.99962217 +1  160.1519881 +1 -107.1106095 +1     5     1     8
  H     2.49151521 +1  137.3709308 +1   -2.9385742 +1    14     5     1
  H     2.50883580 +1  119.5834379 +1   -1.3640534 +1    15    14     5
  H     2.15708672 +1  138.4036969 +1 -178.9750419 +1     6     1     5
  H     1.10164684 +1   82.3572421 +1  120.6696125 +1     6     5     7
  H     1.10321616 +1  117.7977727 +1 -179.9725957 +1     9     4    11
  H     1.10154873 +1  117.8980637 +1  179.9782348 +1    10     4    12
  H     1.09066130 +1  119.8042378 +1  179.9720196 +1    11     9    13
  H     1.09075645 +1  119.7755608 +1 -179.7267226 +1    12    10     4
  H     1.09188323 +1  120.5789659 +1  179.8296718 +1    13    11     9
  N     1.35760992 +1   35.5407944 +1 -178.8539044 +1     6     5    18
  C     1.10327457 +1   77.6662347 +1   -1.0721138 +1    14     5    15
  C     1.09074503 +1   60.3896098 +1    0.0078700 +1    15    14    16
  C     1.09192983 +1   59.3083709 +1   -0.0328336 +1    16    15    14
  C     1.09076448 +1   34.1924066 +1 -179.8118736 +1    17     6    18